UCSF

ZINC32502151

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 31 No

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Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.37 9.58 -53.09 1 6 1 56 421.517 5
Hi High (pH 8-9.5) 3.37 6.66 -9.82 0 6 0 55 420.509 5
Mid Mid (pH 6-8) 3.37 8.88 -47.09 1 6 1 56 421.517 5
Lo Low (pH 4.5-6) 3.37 11.91 -127.51 2 6 2 58 422.525 5

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Analogs ( Draw Identity 99% 90% 80% 70% )