UCSF

ZINC26509528

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 20 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) 0.70 1.7 -48.3 4 4 1 64 279.335 7
Hi High (pH 8-9.5) 0.70 1.24 -8.65 3 4 0 63 278.327 7
Mid Mid (pH 6-8) 0.70 4.18 -36.7 4 4 1 64 279.335 7

Activity (Go SEA)

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