UCSF

ZINC02859653

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2004 29 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) 1.98 8.28 -22.14 2 8 0 102 430.559 8
Mid Mid (pH 6-8) 2.24 4.61 -46.03 3 8 1 110 431.567 8

Activity (Go SEA)

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