UCSF

ZINC12642099

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 36 Yes

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Annotations

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) 2.71 8.97 -19.53 2 8 0 101 492.62 6
Lo Low (pH 4.5-6) 2.71 9.26 -42.45 3 8 1 102 493.628 6

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