UCSF

ZINC37079823

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

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) 4.38 9.19 -112.84 4 2 2 32 268.489 3
Hi High (pH 8-9.5) 4.38 9.05 -28.49 3 2 1 30 267.481 3
Hi High (pH 8-9.5) 4.38 7.28 -42.4 3 2 1 31 267.481 3

Activity (Go SEA)

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