UCSF

ZINC32501367

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 29 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) 3.33 11.46 -56.76 1 5 1 57 385.443 3
Mid Mid (pH 6-8) 3.33 8.55 -11.48 0 5 0 56 384.435 3
Lo Low (pH 4.5-6) 3.33 8.97 -42.89 1 5 1 57 385.443 3

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